SCHEMBL8908169

SCHEMBL8908169

CCOC(=O)Oc1cn2c3c(c(F)c(F)cc3c1=O)OCN2C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
STAT3 P40763 1/20 0.38
TNF P01375 2/20 0.36
ADRB2 P07550 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 4/20 0.33
KMT2A Q03164 3/20 0.33
KCNH2 Q12809 1/20 0.33
TOP1 P11387 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ALB P02768 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7497840 0.86 KDM4E (0.54) KDM4ECNR1CNR2ALDH1A1HPGD
SCHEMBL2088723 0.86 KDM4E (0.54) KDM4ECNR1CNR2STAT3ADRB2
SCHEMBL8201213 0.81 KDM4E (0.35) KDM4ESTAT3TNF
SCHEMBL7016264 0.79 KDM4E (0.51) KDM4ECNR1CNR2STAT3ALDH1A1
SCHEMBL7848113 0.79 KDM4E (0.72) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8906595 0.78 KDM4E (0.41) KDM4ECNR1CNR2STAT3ALDH1A1
SCHEMBL9560614 0.76 STAT3 (0.42) KDM4ECNR1CNR2STAT3TNF
SCHEMBL10762656 0.76 STAT3 (0.42) KDM4ECNR1CNR2STAT3TNF
SCHEMBL9534790 0.76 KDM4E (0.54) KDM4ECNR1CNR2STAT3ADRB2
SCHEMBL9512987 0.76 STAT3 (0.39) KDM4ECNR1CNR2STAT3TNF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647644-B1 Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives BAYER AG (DE) 1997-11-05 EP disclosed
EP-0647644-A1 Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives BAYER AG (DE) 1995-04-12 EP disclosed